3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide

C₁₆H₁₆ClN₅O₃ — CID 20931834

About 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide

3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931834) has the molecular formula C₁₆H₁₆ClN₅O₃ and a molecular weight of 361.79 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 20931834
• Molecular Formula: C₁₆H₁₆ClN₅O₃
• Molecular Weight: 361.79 g/mol
• Exact Mass: 361.09
• IUPAC Name: 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
• SMILES: COCCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nc2C)no1
• InChI: InChI=1S/C16H16ClN5O3/c1-10-13(9-22(20-10)12-5-3-11(17)4-6-12)14-19-16(25-21-14)15(23)18-7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,18,23)
• InChIKey: FCMWDAISKVOHEP-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.79
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide (CID 20931834) is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nc2C)no1.

What is the InChIKey of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is FCMWDAISKVOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-10-13(9-22(20-10)12-5-3-11(17)4-6-12)14-19-16(25-21-14)15(23)18-7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,18,23).

What are the key properties of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?

3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20931834 — identifiers, structure, computed properties (public domain)

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